Compound Detail
CHEMBL3092230
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CC(=O)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(COC(C)=O)[C@H]4CC[C@]23C)OC1=O
Basic Information
| ChEMBL ID | CHEMBL3092230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDYNWFXKODBECJ-IXVKYPSNSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
554.7
MW (Da)
4.26
ALogP
8
HBA
1
HBD
116.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24273633 | 10.1021/ml400267q | NON-PROTEIN TARGET | 2 |
| 24273633 | 10.1021/ml400267q | MRC5 | 1 |
| 24273633 | 10.1021/ml400267q | SK-MEL-28 | 1 |
| 24273633 | 10.1021/ml400267q | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine